N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide

C28H22ClN3O3S — CID 22388440

IUPACN-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide
SMILESCc1nn(Cc2ccc(-c3ccccc3)cc2Cl)c2cc(C(=O)NS(=O)(=O)c3ccccc3)ccc12
InChIInChI=1S/C28H22ClN3O3S/c1-19-25-15-14-22(28(33)31-36(34,35)24-10-6-3-7-11-24)17-27(25)32(30-19)18-23-13-12-21(16-26(23)29)20-8-4-2-5-9-20/h2-17H,18H2,1H3,(H,31,33)
InChIKeyMQSGJOPSVLFGIZ-UHFFFAOYSA-N
MW516.02 g/mol
LogP5.83
Rot. Bonds6

About N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide

N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide (PubChem CID 22388440) has the molecular formula C28H22ClN3O3S and a molecular weight of 516.02 g/mol. Its IUPAC name is N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide.

Molecular Properties

Compound NameN-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide
PubChem CID22388440
Molecular FormulaC28H22ClN3O3S
Molecular Weight516.02 g/mol
Exact Mass515.11
IUPAC NameN-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide
SMILESCc1nn(Cc2ccc(-c3ccccc3)cc2Cl)c2cc(C(=O)NS(=O)(=O)c3ccccc3)ccc12
InChIInChI=1S/C28H22ClN3O3S/c1-19-25-15-14-22(28(33)31-36(34,35)24-10-6-3-7-11-24)17-27(25)32(30-19)18-23-13-12-21(16-26(23)29)20-8-4-2-5-9-20/h2-17H,18H2,1H3,(H,31,33)
InChIKeyMQSGJOPSVLFGIZ-UHFFFAOYSA-N
XLogP5.83
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.02
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-bromo-2-chlorophenyl)methyl]-3-methyl-N-[(E)-2-phenylethenyl]sulfonylindazole-6-carboxamide
CID 22388328
1-[(2-chloro-4-phenylphenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methylindole-6-carboxamide
CID 70154509
N-(benzenesulfonyl)-3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-1-benzofuran-5-carboxamide
CID 22387985
3-[(2-chloro-4-phenylphenyl)methyl]-2-methyl-N-(1-phenylethenylsulfonyl)benzimidazole-5-carboxamide
CID 18467639
N-(benzenesulfonyl)-3,4-dichlorobenzamide
CID 47108670
3-[[2-chloro-4-(2-phenylethenyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide
CID 54153744
4-[[3-amino-6-(cyclopentanecarbonyl)indazol-1-yl]methyl]-N-(benzenesulfonyl)-3-methoxybenzamide
CID 70352221
3-[(2-chloro-4-phenylphenyl)methyl]-N-(4-ethenylphenyl)sulfonyl-2-methyl-1-benzofuran-5-carboxamide
CID 22388291
N-(benzenesulfonyl)-3-[(2,4-dichlorophenyl)methyl]-2-methyl-1-benzothiophene-5-carboxamide
CID 22388469
1-[(2,4-dichlorophenyl)methyl]-3-ethylindazole-6-carboxylic acid
CID 22387827
sodium N-(4-tert-butylphenyl)sulfonyl-3-[(2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxamide
CID 18680953
1-[(2,4-dichlorophenyl)methyl]-3,6-dimethylindazole
CID 143192052

Frequently Asked Questions

What is the IUPAC name of N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide?
The IUPAC name of N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide (CID 22388440) is N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide.
What is the SMILES notation for N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide?
The canonical SMILES for N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide is Cc1nn(Cc2ccc(-c3ccccc3)cc2Cl)c2cc(C(=O)NS(=O)(=O)c3ccccc3)ccc12.
What is the InChIKey of N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide?
The InChIKey is MQSGJOPSVLFGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClN3O3S/c1-19-25-15-14-22(28(33)31-36(34,35)24-10-6-3-7-11-24)17-27(25)32(30-19)18-23-13-12-21(16-26(23)29)20-8-4-2-5-9-20/h2-17H,18H2,1H3,(H,31,33).
What are the key properties of N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide?
N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide has a molecular weight of 516.02 g/mol, XLogP of 5.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzenesulfonyl)-1-[(2-chloro-4-phenylphenyl)methyl]-3-methylindazole-6-carboxamide is sourced from PubChem (CID 22388440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).